CID 2760127

677326-97-5

Structural Information

Molecular Formula

C₈H₉ClN₂O₃S

SMILES

CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C8H9ClN2O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,10,11,12)

InChIKey

AUVKUNSZASYBOE-UHFFFAOYSA-N

Compound name

4-(methylcarbamoylamino)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 248.00224 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.00952	148.9
[M+Na]+	270.99146	157.3
[M-H]-	246.99496	153.2
[M+NH4]+	266.03606	166.9
[M+K]+	286.96540	153.1
[M+H-H2O]+	230.99950	143.9
[M+HCOO]-	293.00044	164.5
[M+CH3COO]-	307.01609	190.4
[M+Na-2H]-	268.97691	153.7
[M]+	248.00169	152.2
[M]-	248.00279	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe